2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine

C12H19N5 — CID 63926372

IUPAC2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCn1cc(-c2cnc(CNC(C)(C)C)[nH]2)cn1
InChIInChI=1S/C12H19N5/c1-12(2,3)14-7-11-13-6-10(16-11)9-5-15-17(4)8-9/h5-6,8,14H,7H2,1-4H3,(H,13,16)
InChIKeyQFJFSNSHTDXANK-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.70
Rot. Bonds3

About 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine (PubChem CID 63926372) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
PubChem CID63926372
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCn1cc(-c2cnc(CNC(C)(C)C)[nH]2)cn1
InChIInChI=1S/C12H19N5/c1-12(2,3)14-7-11-13-6-10(16-11)9-5-15-17(4)8-9/h5-6,8,14H,7H2,1-4H3,(H,13,16)
InChIKeyQFJFSNSHTDXANK-UHFFFAOYSA-N
XLogP1.70
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine (CID 63926372) is 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine is Cn1cc(-c2cnc(CNC(C)(C)C)[nH]2)cn1.
What is the InChIKey of 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is QFJFSNSHTDXANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-12(2,3)14-7-11-13-6-10(16-11)9-5-15-17(4)8-9/h5-6,8,14H,7H2,1-4H3,(H,13,16).
What are the key properties of 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63926372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).